Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate

Basic Information

View in Editor

CAS Number

83823-61-4

Molecular Formula

C13H16O4

Molecular Weight

236.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

View in Editor

CCOC(=O)CC(=O)CC1=CC=CC=C1OC

InChI

InChI=1S/C13H16O4/c1-3-17-13(15)9-11(14)8-10-6-4-5-7-12(10)16-2/h4-7H,3,8-9H2,1-2H3

InChIKey

UTHZUODGIWFCOP-UHFFFAOYSA-N

LogP

1.7600000000000002

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

262

Synonyms & References

English

MFCD03844418
Ethyl4-(2-methoxyphenyl)-3-oxobutanoate
4-(2-Methoxy-phenyl)-3-oxo-butyric acid ethy lester
Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate
2-Methoxy-beta-oxo-benzenebutanoic acid ethyl ester
DTXSID90669504
AKOS010952053
83823-61-4
4-(2-Methoxy-phenyl)-3-oxo-butyric acid ethyl ester
Benzenebutanoic acid,2-methoxy-b-oxo-, ethyl ester
4-(2-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
ethyl 4-(2-methoxyphenyl)-3-oxobutanoate

MDL Number

MFCD03844418

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4)?

Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4) is a crystalline compound with a molecular weight of approximately 218.25 g/mol. It has a solubility of about 5 g/L in water and is slightly soluble in polar organic solvents. This compound is relatively stable under normal conditions but can undergo hydrolysis. It is miscible with alcohols and ethers. It is used in various applications requiring specific chemical reactivity.

How is Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4) typically synthesized?

Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4) is typically synthesized via esterification of 2-methoxybenzaldehyde with ethyl acetoacetate in the presence of an acid catalyst. The reaction is carried out under reflux conditions, and the product undergoes a high degree of selectivity with good yield. This method ensures the formation of the desired product with minimal side products.

What industries use Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4)?

Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the polymer industry for specific monomer applications and in sensor technology for its reactivity and stability. Additionally, it has potential applications in semiconductor manufacturing for certain chemical processes.

What precautions should be taken when handling Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4)?

When handling Ethyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 83823-61-4), appropriate personal protective equipment (PPE) should be worn, including gloves and safety goggles. The substance should be handled in a well-ventilated area or under a fume hood. Spills should be carefully cleaned up, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.